Probing keto-enol tautomerism using photoelectron spectroscopy
Phys. Chem. Chem. Phys., 2015, 17,19991-19996DOI: 10.1039/C5CP02023A, PaperNathalie Capron, Bastien Casier, Nicolas Sisourat, Maria Novella Piancastelli, Marc Simon, Stephane CarniatoWe theoretically...
View ArticleA new, layered monoclinic phase of Co3O4 at high pressure
Phys. Chem. Chem. Phys., 2015, 17,19957-19961DOI: 10.1039/C5CP02126J, PaperThanayut Kaewmaraya, Wei Luo, Xiao Yang, Puspamitra Panigrahi, Rajeev AhujaWe present the crystal structures and electronic...
View ArticleTheoretical study on catalyzed selective photoreduction mechanism for...
Phys. Chem. Chem. Phys., 2015, 17,19997-20005DOI: 10.1039/C5CP03422A, PaperXiao Huang, Liang Peng, Feng Long Gu, Ruiqin ZhangPhotoreduction of 4-bromobenzaldehyde is selective in different solvents....
View ArticleKinetics of the unimolecular reaction of CH2OO and the bimolecular reactions...
Phys. Chem. Chem. Phys., 2015, 17,19862-19873DOI: 10.1039/C5CP02224J, PaperTorsten Berndt, Ralf Kaethner, Jens Voigtlander, Frank Stratmann, Mark Pfeifle, Patrick Reichle, Mikko Sipila, Markku Kulmala,...
View ArticleSingle Pt atom stabilized on nitrogen doped graphene: CO oxidation readily...
Phys. Chem. Chem. Phys., 2015, 17,20006-20013DOI: 10.1039/C5CP01922B, PaperXilin Zhang, Zhansheng Lu, Guoliang Xu, Tianxing Wang, Dongwei Ma, Zongxian Yang, Lin YangThe tri-molecular E-R mechanism (2CO...
View ArticleRational design of phenoxazine-based donor-acceptor-donor thermally activated...
Phys. Chem. Chem. Phys., 2015, 17,20014-20020DOI: 10.1039/C5CP02810H, PaperJing Lu, Yiying Zheng, Jingping ZhangThe rational design of a novel phenoxazine-based D-B-A2-B-D TADF candidate with smaller...
View ArticleSinglet-triplet annihilation in single LHCII complexes
Phys. Chem. Chem. Phys., 2015, 17,19844-19853DOI: 10.1039/C5CP01806D, PaperJ. Michael Gruber, Jevgenij Chmeliov, Tjaart P. J. Kruger, Leonas Valkunas, Rienk van GrondelleThe two-exponential...
View ArticleThe new dimension of silver
Phys. Chem. Chem. Phys., 2015, 17,19695-19699DOI: 10.1039/C5CP03465E, CommunicationLi-Ming Yang, Thomas Frauenheim, Eric GanzWe predict a novel and highly stable 2D Ag monolayer featuring planar...
View ArticleEndohedral C3 Ca@B39+ and C2 Ca@B39+: axially chiral metalloborospherenes...
Phys. Chem. Chem. Phys., 2015, 17,19690-19694DOI: 10.1039/C5CP03178H, CommunicationQiang Chen, Ting Gao, Wen-Juan Tian, Hui Bai, Su-Yan Zhang, Hai-Ru Li, Chang-Qing Miao, Yue-Wen Mu, Hai-Gang Lu,...
View ArticleKinetic Monte Carlo simulation of the photodegradation process of...
Phys. Chem. Chem. Phys., 2015, 17,19962-19976DOI: 10.1039/C5CP01581B, PaperKoen N. S. Adema, Hesam Makki, Elias A. J. F. Peters, Jozua Laven, Leendert G. J. van der Ven, Rolf A. T. M. van Benthem,...
View ArticleHygroscopic and phase transition properties of alkyl aminium sulfates at low...
Phys. Chem. Chem. Phys., 2015, 17,19789-19796DOI: 10.1039/C5CP02404H, PaperYangxi Chu, Meike Sauerwein, Chak K. ChanChemical composition changes and phase transition during hygroscopic measurements of...
View ArticleA novel synthetic strategy for magnetite-type compounds. A combined...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP01852H, PaperLuigi Cigarini, Davide Vanossi, Federica Bondioli, Claudio FontanesiThe dynamics of the early stage reaction between benzyl...
View ArticlePolarized emission from stretched PPV films viewed at the molecular level
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02513C, PaperRodrigo Ramos, Melissa F. Siqueira, Thiago Cazati, Roberto M. Faria, Marilia J. CaldasWe present a study on the...
View ArticleAn olive-shaped SnO2 nanocrystal-based low concentration H2S gas sensor with...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02854J, PaperJun Hu, Guilin Yin, Junchen Chen, Meiying Ge, Jing Lu, Zhi Yang, Dannong HeOlive-shaped SnO2 nanocrystals were synthesized...
View ArticleTheoretical and experimental studies on the atmospheric degradation of...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP01457C, PaperWeiwang Chen, Xiaomeng Zhou, Yajun Han2-Bromo-3,3,3-trifluoropropene (2-BTP) is applied in confined places as a potential...
View ArticleUltraviolet-light-driven doping modulation in chemical vapor deposition grown...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02159F, PaperM. Z. Iqbal, M. W. Iqbal, M. F. Khan, Jonghwa EomThe tuning of charge carrier density of graphene is an essential factor to...
View ArticleDirect measurements of the interactions between clathrate hydrate particles...
Phys. Chem. Chem. Phys., 2015, 17,20021-20029DOI: 10.1039/C5CP02247A, PaperChenwei Liu, Mingzhong Li, Guodong Zhang, Carolyn A. KohCyclopentane hydrate particle-droplet interactions and the effects of...
View ArticleMolecular mechanism of water permeation in a helium impermeable graphene and...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02410B, PaperNallani Raghav, Sudip Chakraborty, Prabal K. MaitiLayers of graphene oxide (GO) are found to be good for the permeation of...
View ArticleHydrogen spillover on Rh/TiO2: the FTIR study of donated electrons,...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03148F, PaperD. Panayotov, E. Ivanova, M. Mihaylov, K. Chakarova, T. Spassov, K. HadjiivanovHydrogen spillover on Rh/TiO2: molecular H2...
View ArticleDilute nitric or nitrous acid solution containing halide ions as effective...
Phys. Chem. Chem. Phys., 2015, 17,19948-19956DOI: 10.1039/C5CP02288F, PaperMasashi Hojo, Masahiko Yamamoto, Kei OkamuraBromide salts are more effective than chloride salts in gaining the ability of...
View Article